UCSF

ZINC34610486

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.99 5.93 -68.81 3 5 -1 108 242.295 7
Hi High (pH 8-9.5) -0.99 5.65 -105.82 2 5 -2 106 241.287 7
Lo Low (pH 4.5-6) -0.99 3.94 -44.04 4 5 0 105 243.303 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )